SCHEMBL2848416

SCHEMBL2848416

COC(=O)c1cccc(N2CCC(N)C(OC)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 3/20 0.44
NPC1 O15118 2/20 0.44
KDM4E B2RXH2 2/20 0.44
RAB9A P51151 1/20 0.44
NOTUM Q6P988 4/20 0.43
TP53 P04637 1/20 0.43
GRM2 Q14416 1/20 0.43
CNR1 P21554 1/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2848417 1.00 GAA (0.46) GAAALDH1A1MAPTHPGDNPC1
SCHEMBL2854884 0.89 KMT2A (0.51) GAAALDH1A1MAPTHPGDKDM4E
SCHEMBL2854886 0.89 KMT2A (0.51) GAAALDH1A1MAPTHPGDKDM4E
SCHEMBL2850955 0.89 GRM2 (0.45) GAAALDH1A1MAPTHPGDNPC1
SCHEMBL2850956 0.89 GRM2 (0.45) GAAALDH1A1MAPTHPGDNPC1
SCHEMBL2851015 0.89 GPR119 (0.43) NOTUMMTNR1AMTNR1B
SCHEMBL2851019 0.89 GPR119 (0.43) NOTUMMTNR1AMTNR1B
SCHEMBL2852204 0.87 GRM2 (0.48) GAAALDH1A1MAPTHPGDNPC1
SCHEMBL2852202 0.87 GRM2 (0.48) GAAALDH1A1MAPTHPGDNPC1
SCHEMBL29040819 0.85 GAA (0.50) GAAALDH1A1MAPTHPGDNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A GAA 1609/4885ALDH1A1 3596/4885MAPT 1455/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A GAA 1089/4885ALDH1A1 1220/4885MAPT 1979/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.